SCHEMBL4281259

SCHEMBL4281259

O=C(O)N1CCN(C(=O)c2ncn(C3CCCCC34CO4)c2-c2cccc(F)c2)[C@H](Cc2ccccc2)C1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 2/20 0.35
CA1 P00915 12/20 0.35
CA2 P00918 12/20 0.35
CA4 P22748 12/20 0.35
CA9 Q16790 12/20 0.35
CYP2D6 P10635 4/20 0.33
MAPK1 P28482 1/20 0.33
RECQL P46063 1/20 0.33
TSHR P16473 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
GRM5 P41594 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4281262 1.00 SCD5 (0.35) SCD5CA1CA2CA4CA9
SCHEMBL4283267 0.93 CA1 (0.39) SCD5CA1CA2CA4CA9
SCHEMBL13705252 0.91 ABHD6 (0.41) SCD5
SCHEMBL4287715 0.86 HCRTR1 (0.33) SCD5CA1CA2CA4CA9
SCHEMBL4287706 0.86 HCRTR1 (0.33) SCD5CA1CA2CA4CA9
SCHEMBL4287711 0.86 HCRTR1 (0.33) SCD5CA1CA2CA4CA9
SCHEMBL4286186 0.85 CA1 (0.37) SCD5CA1CA2CA4CA9
SCHEMBL13705226 0.83 ABHD6 (0.43) SCD5CA1CA2CA4CA9
SCHEMBL13808922 0.83 ABHD6 (0.43) SCD5CA1CA2CA4CA9
SCHEMBL4283031 0.83 CA1 (0.34) SCD5CA1CA2CA4CA9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT SCD5 3639/4885CA1 2275/4885CA2 218/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT SCD5 3639/4885CA1 2275/4885CA2 218/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.